3-[3-[4-(pyridin-2-ylamino)butoxy]phenyl]propanoic acid

Systemtic Name: 3-[3-[4-(pyridin-2-ylamino)butoxy]phenyl]propanoic acid Openeye Name: 3-[3-[4-(2-pyridylamino)butoxy]phenyl]propanoic acid CAS Name: 3-[3-[4-(2-pyridinylamino)butoxy]phenyl]propanoic acid IUPAC Name: 3-[3-[4-(pyridin-2-ylamino)butoxy]phenyl]propanoic acid Traditional Name: 3-[3-[4-(2-pyridylamino)butoxy]phenyl]propionic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCCCOC2=CC=CC(=C2)CCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)NCCCCOC2=CC=CC(=C2)CCC(=O)O

InChI

InChI=1S/C18H22N2O3/c21-18(22)10-9-15-6-5-7-16(14-15)23-13-4-3-12-20-17-8-1-2-11-19-17/h1-2,5-8,11,14H,3-4,9-10,12-13H2,(H,19,20)(H,21,22)